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Compound Detail

CHEMBL1194006

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CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(N)sc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194006
Phase Preclinical
Structure Type MOL
InChI Key JSVDZVXDIFZNCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.14
ALogP
6
HBA
2
HBD
81.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2S
MW 315.40
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine